Network Structure and Water Absorption of Soil Moisture Gel by Coarse-Grained Molecular Dynamics Simulations

被引:0
|
作者
Jiang, Hailing [1 ,2 ]
机构
[1] Jiangxi Agr Univ, Nanchang Business Coll, Small & Micro Enterprise Res Ctr, Jiujiang 332020, Peoples R China
[2] Guangdong Dev & Reform Res Inst, Guangzhou 510031, Peoples R China
关键词
Molecular Scale Simulation; Network Structure; Soil; Water Absorption; MECHANICAL-PROPERTIES; TRANSPORT-PROPERTIES; HYDROGELS;
D O I
10.4028/p-r8o1xc
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
With the wide application of hydrogel materials in agriculture, forestry, flexible electronics, electronic information engineering, environmental detection, flexible electronics, information science, technology and so on, the development of various new functional hydrogel materials has gradually become one of the research hotspots. At present, the research on hydrogel materials is mainly focused on the preparation of various functional hydrogels by experimental methods, there is no fundamental understanding of the relationship between the "stimulus-response" and its inner microstructures. In this paper, the author uses the molecular dynamics simulation method to study the evolution of the hydrogel's microscopic network structure, the relationship between microstructure and water absorption of hydrogels in the processes of water swelling and "stimulus-response". The next generation of new super absorbent, high toughness, high strength and other functional hydrogels could be synthesized by the guide of this study, and these new hydrogels have a promising future to apply in new fields of technology such as flexible electronics, and biological medicine.
引用
收藏
页码:1 / 12
页数:12
相关论文
共 50 条
  • [1] Coarse-grained protein molecular dynamics simulations
    Derreumaux, Philippe
    Mousseau, Normand
    JOURNAL OF CHEMICAL PHYSICS, 2007, 126 (02):
  • [2] Coarse-grained molecular dynamics simulations of biomolecules
    Takahashi, Ken
    Oda, Takayuki
    Naruse, Keiji
    AIMS BIOPHYSICS, 2014, 1 (01): : 1 - 15
  • [3] Molecular scale of network structure and water absorption of soil moisture gel
    Hai-ling Jiang
    Acta Geophysica, 2023, 71 : 1377 - 1390
  • [4] Molecular scale of network structure and water absorption of soil moisture gel
    Jiang, Hai-ling
    ACTA GEOPHYSICA, 2023, 71 (03) : 1377 - 1390
  • [5] A coarse-grained model of the ribosome: Molecular dynamics simulations
    Trylska, J
    Tozzini, V
    McCammon, J
    PROTEIN SCIENCE, 2004, 13 : 121 - 121
  • [6] Coarse-grained molecular dynamics simulations of clay compression
    Bandera, Sara
    O'Sullivan, Catherine
    Tangney, Paul
    Angioletti-Uberti, Stefano
    COMPUTERS AND GEOTECHNICS, 2021, 138 (138)
  • [7] A review of advancements in coarse-grained molecular dynamics simulations
    Joshi, Soumil Y.
    Deshmukh, Sanket A.
    MOLECULAR SIMULATION, 2021, 47 (10-11) : 786 - 803
  • [8] Coarse-Grained Molecular Dynamics Simulations of Pegylated Lipids
    Lee, Hwankyu
    Pastor, Richard W.
    BIOPHYSICAL JOURNAL, 2010, 98 (03) : 569A - 569A
  • [9] Improved coarse-grained model for molecular-dynamics simulations of water nucleation
    Zipoli, Federico
    Laino, Teodoro
    Stolz, Steffen
    Martin, Elyette
    Winkelmann, Christoph
    Curioni, Alessandro
    JOURNAL OF CHEMICAL PHYSICS, 2013, 139 (09):
  • [10] A simple, efficient polarizable coarse-grained water model for molecular dynamics simulations
    Riniker, Sereina
    van Gunsteren, Wilfred F.
    JOURNAL OF CHEMICAL PHYSICS, 2011, 134 (08):